SCHEMBL23905757

SCHEMBL23905757

O=C(O)c1cc(OC2CC2)c2nc(CO)c(F)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
PDE4D Q08499 7/20 0.34
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
EGLN1 Q9GZT9 5/20 0.34
KMO O15229 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
PTGS2 P35354 1/20 0.33
ACACB O00763 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23904820 0.83 PTGS2 (0.46) PTGS2
SCHEMBL23195951 0.78 CCR1 (0.39) KMT2ALPAR1LPAR5PDE4DPDE4A
SCHEMBL23904835 0.76 SCD (0.39) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23905788 0.72 KMT2A (0.45) KMT2ALPAR1LPAR5PDE4DPDE4A
SCHEMBL25116096 0.72 KMO (0.40) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23904799 0.72 KMT2A (0.41) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23195900 0.72 KMO (0.44) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23904780 0.72 KDM4E (0.43) KMT2A
SCHEMBL23904830 0.72 KMT2A (0.44) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23905741 0.72 HSD17B2 (0.46) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed